3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide

C21H27F2N3O2S — CID 110264030

IUPAC3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2ccc(Cc3c(F)cccc3F)cn2)C1
InChIInChI=1S/C21H27F2N3O2S/c1-3-25(4-2)29(27,28)26-12-6-7-17(15-26)21-11-10-16(14-24-21)13-18-19(22)8-5-9-20(18)23/h5,8-11,14,17H,3-4,6-7,12-13,15H2,1-2H3
InChIKeyHQRDUJWYAHGRHB-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.72
Rot. Bonds7

About 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide

3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide (PubChem CID 110264030) has the molecular formula C21H27F2N3O2S and a molecular weight of 423.53 g/mol. Its IUPAC name is 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
PubChem CID110264030
Molecular FormulaC21H27F2N3O2S
Molecular Weight423.53 g/mol
Exact Mass423.18
IUPAC Name3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2ccc(Cc3c(F)cccc3F)cn2)C1
InChIInChI=1S/C21H27F2N3O2S/c1-3-25(4-2)29(27,28)26-12-6-7-17(15-26)21-11-10-16(14-24-21)13-18-19(22)8-5-9-20(18)23/h5,8-11,14,17H,3-4,6-7,12-13,15H2,1-2H3
InChIKeyHQRDUJWYAHGRHB-UHFFFAOYSA-N
XLogP3.72
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide
CID 92615698
N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 92616479
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 110093304
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine
CID 124975359
N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110260296
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
CID 110264875

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide (CID 110264030) is 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCC(c2ccc(Cc3c(F)cccc3F)cn2)C1.
What is the InChIKey of 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide?
The InChIKey is HQRDUJWYAHGRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O2S/c1-3-25(4-2)29(27,28)26-12-6-7-17(15-26)21-11-10-16(14-24-21)13-18-19(22)8-5-9-20(18)23/h5,8-11,14,17H,3-4,6-7,12-13,15H2,1-2H3.
What are the key properties of 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide?
3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide has a molecular weight of 423.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110264030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).